N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide

C22H16ClF2N5O2 — CID 162746509

IUPACN-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide
SMILESCC(=O)N(c1ccn2nccc2c1)c1cc(NC(=O)Cc2ccc(F)c(F)c2Cl)ccn1
InChIInChI=1S/C22H16ClF2N5O2/c1-13(31)30(17-6-9-29-16(12-17)5-8-27-29)19-11-15(4-7-26-19)28-20(32)10-14-2-3-18(24)22(25)21(14)23/h2-9,11-12H,10H2,1H3,(H,26,28,32)
InChIKeyLGLHBFCJTDMSKJ-UHFFFAOYSA-N
MW455.85 g/mol
LogP4.53
Rot. Bonds5

About N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide

N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide (PubChem CID 162746509) has the molecular formula C22H16ClF2N5O2 and a molecular weight of 455.85 g/mol. Its IUPAC name is N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide
PubChem CID162746509
Molecular FormulaC22H16ClF2N5O2
Molecular Weight455.85 g/mol
Exact Mass455.10
IUPAC NameN-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide
SMILESCC(=O)N(c1ccn2nccc2c1)c1cc(NC(=O)Cc2ccc(F)c(F)c2Cl)ccn1
InChIInChI=1S/C22H16ClF2N5O2/c1-13(31)30(17-6-9-29-16(12-17)5-8-27-29)19-11-15(4-7-26-19)28-20(32)10-14-2-3-18(24)22(25)21(14)23/h2-9,11-12H,10H2,1H3,(H,26,28,32)
InChIKeyLGLHBFCJTDMSKJ-UHFFFAOYSA-N
XLogP4.53
TPSA79.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.85
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 162746618
N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-[4-fluoro-2-(trifluoromethyl)phenyl]acetamide
CID 162746862
N-[2-[acetyl-(2-methylpyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 162746856
N-[2-[acetyl-(2-methylbenzotriazol-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746556
N-[2-[acetyl(1,3-dihydro-2-benzofuran-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746490
N-[2-(N-acetyl-3-fluoroanilino)-4-pyridinyl]-2-(2-chloro-4-fluorophenyl)acetamide;N-[2-(N-acetyl-3-fluoroanilino)-4-pyridinyl]-2-(2-chlorophenyl)acetamide
CID 175417454
N-[2-[acetyl-(5-fluoro-2-methyl-4-pyridinyl)amino]-4-pyridinyl]-2-(2-chloro-3-fluorophenyl)acetamide
CID 162746501
N-[2-(N-acetyl-2,3-difluoroanilino)-4-pyridinyl]-2-(2,6-dichlorophenyl)acetamide
CID 162428425
N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2,6-dichloro-4-ethylphenyl)acetamide
CID 162428154
N-[2-[acetyl-(3-fluoro-4-pyridinyl)amino]-4-pyridinyl]-2-[2-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 162746788
N-[2-(N-acetyl-3,4-difluoroanilino)-4-pyridinyl]-2-(2-chloro-4,6-dimethylphenyl)acetamide
CID 162428331
N-[4-[[2-(2-chloro-3-fluorophenyl)acetyl]amino]-2-pyridinyl]-N-(2-fluoro-4-pyridinyl)propanamide
CID 162746743

Frequently Asked Questions

What is the IUPAC name of N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide?
The IUPAC name of N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide (CID 162746509) is N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide?
The canonical SMILES for N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide is CC(=O)N(c1ccn2nccc2c1)c1cc(NC(=O)Cc2ccc(F)c(F)c2Cl)ccn1.
What is the InChIKey of N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide?
The InChIKey is LGLHBFCJTDMSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF2N5O2/c1-13(31)30(17-6-9-29-16(12-17)5-8-27-29)19-11-15(4-7-26-19)28-20(32)10-14-2-3-18(24)22(25)21(14)23/h2-9,11-12H,10H2,1H3,(H,26,28,32).
What are the key properties of N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide?
N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide has a molecular weight of 455.85 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[acetyl(pyrazolo[1,5-a]pyridin-5-yl)amino]-4-pyridinyl]-2-(2-chloro-3,4-difluorophenyl)acetamide is sourced from PubChem (CID 162746509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).